[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C36H29ClN2O6 MolecularWeight: 621.07826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

InChI

InChI=1S/C36H29ClN2O6/c37-30-10-6-12-33(39(42)43)35(30)45-27-19-17-26(18-20-27)34(40)22-44-36(41)29-21-32(38-31-11-5-4-9-28(29)31)25-15-13-24(14-16-25)23-7-2-1-3-8-23/h4-6,9-21,23H,1-3,7-8,22H2